G856-0929 Screening compound: 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3,5-dimethylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one

G856-0929 Screening compound: 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3,5-dimethylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one
G856-0929 Screening compound: 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3,5-dimethylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-0929
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3,5-dimethylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G856-0929

Molecular Formula

C26H28N4O2S (C26 H28 N4 O2 S)

Compound Name

2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3,5-dimethylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(35-dimethylphenyl)-3H4H5H-pyrimido[54-b]indol-4-one

SMILES

Cc1cc(N(C2=O)C(SCC(N3CCCCCC3)=O)=Nc3c2[nH]c2c3cccc2)cc(C)c1

InChI

InChI=1S/C26H28N4O2S/c1-17-13-18(2)15-19(14-17)30-25(32)24-23(20-9-5-6-10-21(20)27-24)28-26(30)33-16-22(31)29-11-7-3-4-8-12-29/h5-6,9-10,13-15,27H,3-4,7-8,11-12,16H2,1-2H3

InChI Key

XXJMZUWTIJTVJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04458282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.842

Distribution Coefficient, logD

4.842

Water Solubility, LogSw

-4.79

Polar Surface Area

49.841

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

G856-0929 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G856-0929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-0929?
Check Price and Availability of G856-0929, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G856-0929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-0929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-0929
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G856-0929 available by request